CAS RN: 607-88-5
p-Tolyl Salicylate
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250419 | 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: ICTS0018
607-88-5 / (4-methylphenyl) 2-hydroxybenzoate
Basic Information
CAS
607-88-5
Multi CAS
Yes
Molecular Formula
C14H12O3
Molecular Weight
228.240000
Exact Mass
228.078644
InChI
InChI=1S/C14H12O3/c1-10-6-8-11(9-7-10)17-14(16)12-4-2-3-5-13(12)15/h2-9,15H,1H3
InChIKey
AMYKXJAXRJCLCV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
64.24
TPSA
46.53
LogP / Solubility
WLOGP
2.92
MLOGP
2.57
XLogP3
4.1
Consensus LogP
3.2
Log S (ESOL)
-3.48
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
![CAS 114772-38-2 Methyl 2-[4-(Bromomethyl)phenyl]benzoate molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/m1806-jpgcontextbwfzdgvyfhjvb3r8mzixoth8aw1hz2uvanblz3xomjevagjilzg5mze0nti2ndk1mdivtte4mdyuanbnfgzjywe1otc5ngvmmtzhymq1zdbln2jhzjfimzgwyjc1zjdiztg0y2rmm2fkzty3ztewotg4mzm3zjixogu5ndq.jpeg)
